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5-(4-CHLOROPHENYL)-6-CYANO-2-METHYLSULFANYL-3-METHYL-7-PHENYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID JgMIhQRogy1
InChI InChI=1S/C22H17ClN4OS/c1-27-21(28)18-17(13-8-10-15(23)11-9-13)16(12-24)19(14-6-4-3-5-7-14)25-20(18)26-22(27)29-2/h3-11,17,25H,1-2H3
InChIKey LXWGWVRNKRKYJN-UHFFFAOYSA-N
Mol Weight 420.92 g/mol
Molecular Formula C22H17ClN4OS
Exact Mass 420.08116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IojcoFWgEHY
Name 5-(4-Chlorophenyl)-3-methyl-2-(methylthio)-4-oxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Alternate Name(s) 5-(4-Chlorophenyl)-3-methyl-2-methylsulfanyl-4-oxidanylidene-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-3-methyl-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-Chlorophenyl)-4-keto-3-methyl-2-(methylthio)-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
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Formula C22H17ClN4OS
InChI InChI=1S/C22H17ClN4OS/c1-27-21(28)18-17(13-8-10-15(23)11-9-13)16(12-24)19(14-6-4-3-5-7-14)25-20(18)26-22(27)29-2/h3-11,17,25H,1-2H3
InChIKey LXWGWVRNKRKYJN-UHFFFAOYSA-N
Molecular Weight 420.918 g/mol
SMILES N1C(=C(C(C=2C(N(C(=NC12)SC)C)=O)c1ccc(cc1)Cl)C#N)c1ccccc1
SPLASH splash10-0a4i-2119100000-c65ea80c6561669c081f
Source of Spectrum AJ-43-304-5
Wiley ID 1593931